3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione

C24H25FN2O3 — CID 110545726

IUPAC3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCOc1ccc(C)cc1N1C(=O)C(c2ccc(F)cc2)=C(N2CCC(C)CC2)C1=O
InChIInChI=1S/C24H25FN2O3/c1-15-10-12-26(13-11-15)22-21(17-5-7-18(25)8-6-17)23(28)27(24(22)29)19-14-16(2)4-9-20(19)30-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyOBZWGVVKKDUSHY-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.16
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione

3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione (PubChem CID 110545726) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
PubChem CID110545726
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCOc1ccc(C)cc1N1C(=O)C(c2ccc(F)cc2)=C(N2CCC(C)CC2)C1=O
InChIInChI=1S/C24H25FN2O3/c1-15-10-12-26(13-11-15)22-21(17-5-7-18(25)8-6-17)23(28)27(24(22)29)19-14-16(2)4-9-20(19)30-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyOBZWGVVKKDUSHY-UHFFFAOYSA-N
XLogP4.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110574340
3-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561779
1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110544926
3-(4-ethylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557994
1-(2,5-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573656
3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110557855
1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110545716
1-(3,4-difluorophenyl)-3-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110545917
1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545624
1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110557240
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110550636
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110545042

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione (CID 110545726) is 3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione is COc1ccc(C)cc1N1C(=O)C(c2ccc(F)cc2)=C(N2CCC(C)CC2)C1=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
The InChIKey is OBZWGVVKKDUSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-15-10-12-26(13-11-15)22-21(17-5-7-18(25)8-6-17)23(28)27(24(22)29)19-14-16(2)4-9-20(19)30-3/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione has a molecular weight of 408.47 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110545726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).